5-[4-(1-chloroethenyl)-3-methylphenyl]-3-(3,5-dichlorophenyl)-3-(trifluoromethyl)-2,4-dihydropyrrole

C20H15Cl3F3N — CID 144535540

IUPAC5-[4-(1-chloroethenyl)-3-methylphenyl]-3-(3,5-dichlorophenyl)-3-(trifluoromethyl)-2,4-dihydropyrrole
SMILESC=C(Cl)c1ccc(C2=NCC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)cc1C
InChIInChI=1S/C20H15Cl3F3N/c1-11-5-13(3-4-17(11)12(2)21)18-9-19(10-27-18,20(24,25)26)14-6-15(22)8-16(23)7-14/h3-8H,2,9-10H2,1H3
InChIKeyUVHPQJFTBHQGFM-UHFFFAOYSA-N
MW432.70 g/mol
LogP7.20
Rot. Bonds3

About 5-[4-(1-chloroethenyl)-3-methylphenyl]-3-(3,5-dichlorophenyl)-3-(trifluoromethyl)-2,4-dihydropyrrole

5-[4-(1-chloroethenyl)-3-methylphenyl]-3-(3,5-dichlorophenyl)-3-(trifluoromethyl)-2,4-dihydropyrrole (PubChem CID 144535540) has the molecular formula C20H15Cl3F3N and a molecular weight of 432.70 g/mol. Its IUPAC name is 5-[4-(1-chloroethenyl)-3-methylphenyl]-3-(3,5-dichlorophenyl)-3-(trifluoromethyl)-2,4-dihydropyrrole.

Molecular Properties

Compound Name5-[4-(1-chloroethenyl)-3-methylphenyl]-3-(3,5-dichlorophenyl)-3-(trifluoromethyl)-2,4-dihydropyrrole
PubChem CID144535540
Molecular FormulaC20H15Cl3F3N
Molecular Weight432.70 g/mol
Exact Mass431.02
IUPAC Name5-[4-(1-chloroethenyl)-3-methylphenyl]-3-(3,5-dichlorophenyl)-3-(trifluoromethyl)-2,4-dihydropyrrole
SMILESC=C(Cl)c1ccc(C2=NCC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)cc1C
InChIInChI=1S/C20H15Cl3F3N/c1-11-5-13(3-4-17(11)12(2)21)18-9-19(10-27-18,20(24,25)26)14-6-15(22)8-16(23)7-14/h3-8H,2,9-10H2,1H3
InChIKeyUVHPQJFTBHQGFM-UHFFFAOYSA-N
XLogP7.20
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.70
LogP ≤ 57.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(1-chloroethenyl)-3-methylphenyl]-3-(3,5-dichlorophenyl)-3-(trifluoromethyl)-2,4-dihydropyrrole?
The IUPAC name of 5-[4-(1-chloroethenyl)-3-methylphenyl]-3-(3,5-dichlorophenyl)-3-(trifluoromethyl)-2,4-dihydropyrrole (CID 144535540) is 5-[4-(1-chloroethenyl)-3-methylphenyl]-3-(3,5-dichlorophenyl)-3-(trifluoromethyl)-2,4-dihydropyrrole.
What is the SMILES notation for 5-[4-(1-chloroethenyl)-3-methylphenyl]-3-(3,5-dichlorophenyl)-3-(trifluoromethyl)-2,4-dihydropyrrole?
The canonical SMILES for 5-[4-(1-chloroethenyl)-3-methylphenyl]-3-(3,5-dichlorophenyl)-3-(trifluoromethyl)-2,4-dihydropyrrole is C=C(Cl)c1ccc(C2=NCC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)cc1C.
What is the InChIKey of 5-[4-(1-chloroethenyl)-3-methylphenyl]-3-(3,5-dichlorophenyl)-3-(trifluoromethyl)-2,4-dihydropyrrole?
The InChIKey is UVHPQJFTBHQGFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15Cl3F3N/c1-11-5-13(3-4-17(11)12(2)21)18-9-19(10-27-18,20(24,25)26)14-6-15(22)8-16(23)7-14/h3-8H,2,9-10H2,1H3.
What are the key properties of 5-[4-(1-chloroethenyl)-3-methylphenyl]-3-(3,5-dichlorophenyl)-3-(trifluoromethyl)-2,4-dihydropyrrole?
5-[4-(1-chloroethenyl)-3-methylphenyl]-3-(3,5-dichlorophenyl)-3-(trifluoromethyl)-2,4-dihydropyrrole has a molecular weight of 432.70 g/mol, XLogP of 7.20, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(1-chloroethenyl)-3-methylphenyl]-3-(3,5-dichlorophenyl)-3-(trifluoromethyl)-2,4-dihydropyrrole is sourced from PubChem (CID 144535540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).